(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol

C16H20O — CID 164700841

IUPAC(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC#C[C@@]1(O)CCCc2ccccc21
InChIInChI=1S/C16H20O/c1-2-3-4-7-12-16(17)13-8-10-14-9-5-6-11-15(14)16/h5-6,9,11,17H,2-4,8,10,13H2,1H3/t16-/m1/s1
InChIKeyOVSHRAONOSJXNH-MRXNPFEDSA-N
MW228.33 g/mol
LogP3.40
Rot. Bonds2

About (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol

(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 164700841) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID164700841
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC#C[C@@]1(O)CCCc2ccccc21
InChIInChI=1S/C16H20O/c1-2-3-4-7-12-16(17)13-8-10-14-9-5-6-11-15(14)16/h5-6,9,11,17H,2-4,8,10,13H2,1H3/t16-/m1/s1
InChIKeyOVSHRAONOSJXNH-MRXNPFEDSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol (CID 164700841) is (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol is CCCCC#C[C@@]1(O)CCCc2ccccc21.
What is the InChIKey of (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is OVSHRAONOSJXNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-4-7-12-16(17)13-8-10-14-9-5-6-11-15(14)16/h5-6,9,11,17H,2-4,8,10,13H2,1H3/t16-/m1/s1.
What are the key properties of (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 228.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 164700841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).